SCHEMBL8628586

SCHEMBL8628586

CCCS(=O)(=O)Nc1cc(N2CCN(CC)CC2)cc(-c2ccccc2C#N)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
APAF1 O14727 2/20 0.36
BRAF P15056 5/20 0.36
CHRNA7 P36544 1/20 0.35
DRD3 P35462 3/20 0.35
DRD2 P14416 3/20 0.35
HTR6 P50406 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MITF O75030 2/20 0.35
PARP14 Q460N5 1/20 0.34
BRD4 O60885 2/20 0.34
HTR2A P28223 1/20 0.34
DRD4 P21917 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8624802 0.88 KDM2B (0.39) KDM2BAPAF1CHRNA7DRD3HRH3
SCHEMBL8627347 0.87 MITF (0.39) APAF1BRAFCHRNA7DRD3HRH3
SCHEMBL8624900 0.87 APAF1 (0.38) APAF1BRAFCHRNA7DRD3DRD2
Hydrochloric Acid SCHEMBL8625633 0.86 BRD4 (0.38) APAF1BRAFCHRNA7DRD3HRH3
SCHEMBL8627903 0.84 APAF1 (0.36) APAF1BRAFCHRNA7DRD3DRD2
SCHEMBL8624540 0.82 PGAM1 (0.40) KDM2BAPAF1CHRNA7MITFPARP14
SCHEMBL8630282 0.81 PGAM1 (0.39) APAF1CHRNA7DRD3HRH3MITF
SCHEMBL8630208 0.81 KDM2B (0.41) KDM2BBRAFHTR6BRD4
SCHEMBL8626684 0.80 CHRNA7 (0.41) KDM2BAPAF1CHRNA7DRD3DRD2
SCHEMBL8629280 0.79 MITF (0.41) KDM2BAPAF1CHRNA7DRD3DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed